N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C18H19N5O3 — CID 118036666

IUPACN-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)N(C(=O)Nc1ccc(C#N)cn1)CCC2
InChIInChI=1S/C18H19N5O3/c1-25-17(26-2)14-7-6-13-4-3-9-23(16(13)21-14)18(24)22-15-8-5-12(10-19)11-20-15/h5-8,11,17H,3-4,9H2,1-2H3,(H,20,22,24)
InChIKeyBTKKGMHTYUOVDJ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.62
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036666) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036666
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOC(OC)c1ccc2c(n1)N(C(=O)Nc1ccc(C#N)cn1)CCC2
InChIInChI=1S/C18H19N5O3/c1-25-17(26-2)14-7-6-13-4-3-9-23(16(13)21-14)18(24)22-15-8-5-12(10-19)11-20-15/h5-8,11,17H,3-4,9H2,1-2H3,(H,20,22,24)
InChIKeyBTKKGMHTYUOVDJ-UHFFFAOYSA-N
XLogP2.62
TPSA100.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155758545
7-(dimethoxymethyl)-N-[5-[2-(2-fluoro-3,5-dimethoxy-6-methylphenyl)ethynyl]pyrimidin-2-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 155746486
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(dimethoxymethyl)-N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 131734776
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036356
N-(4-butoxy-5-cyano-2-pyridinyl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166632901
N-[5-cyano-4-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-2-pyridinyl]-6-(difluoromethyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036518
6-[(1-acetyl-2,3-dihydroindol-5-yl)amino]pyridine-3-carbonitrile
CID 18156172
N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 159341385
6-[[tert-butyl(dimethyl)silyl]oxymethyl]-N-[5-cyano-4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 140672975
N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 62353143

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036666) is N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC(OC)c1ccc2c(n1)N(C(=O)Nc1ccc(C#N)cn1)CCC2.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is BTKKGMHTYUOVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-17(26-2)14-7-6-13-4-3-9-23(16(13)21-14)18(24)22-15-8-5-12(10-19)11-20-15/h5-8,11,17H,3-4,9H2,1-2H3,(H,20,22,24).
What are the key properties of N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-7-(dimethoxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).